UCSF

ZINC57936619

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 14 No

Popular Name: 7-ethyl-4H-isoquinoline-1,3-dione 7-ethyl-4H-isoquinoline-1,3-dione

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 3.73 -8.89 1 3 0 46 189.214 1 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.